ChemicalBook--->CAS DataBase List--->836-30-6

836-30-6

836-30-6 Structure

836-30-6 Structure
IdentificationMore
[Name]

4-Nitrodiphenylamine
[CAS]

836-30-6
[Synonyms]

4-NITRODIPHENYLAMINE
4-NITRO-N-PHENYLANILINE
(4-NITROPHENYL)PHENYLAMINE
LABOTEST-BB LT01487848
P-NITRODIPHENYLAMINE
TIMTEC-BB SBB008055
4-ndpa
4-Nitrodifenylamin
4-nitrodifenylamin(czech)
4-nitro-diphenylamin
4-nitro-n-phenyl-benzenamin
4-nitro-n-phenylbenzenamine
4-nitro-N-phenyl-benzenamine
Benzenamine, 4-nitro-N-phenyl-
diphenyl,4-nitro-amin
Diphenylamine, 4-nitro-
N-(4-Nitrophenyl)-N-phenylamine
p-Nitrophenylphenylamine
4-Nitrodiphenylamine, 98+%
ANILINE,4-NITRO-N-PHENYL
[EINECS(EC#)]

212-646-2
[Molecular Formula]

C12H10N2O2
[MDL Number]

MFCD00007301
[Molecular Weight]

214.22
[MOL File]

836-30-6.mol
Chemical PropertiesBack Directory
[Appearance]

Orange Crystalline Solid
[Melting point ]

132-135 °C (lit.)
[Boiling point ]

211 °C (30 mmHg)
[density ]

1.2042 (rough estimate)
[refractive index ]

1.6660 (estimate)
[Fp ]

190°C
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

-2.60±0.20(Predicted)
[color ]

Orange to Brown
[Water Solubility ]

INSOLUBLE
[BRN ]

2051910
[InChI]

1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
[InChIKey]

XXYMSQQCBUKFHE-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1ccc(Nc2ccccc2)cc1
[CAS DataBase Reference]

836-30-6(CAS DataBase Reference)
[NIST Chemistry Reference]

N-(4-Nitrophenyl)-N-phenylamine(836-30-6)
[EPA Substance Registry System]

836-30-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

3077
[WGK Germany ]

3
[RTECS ]

JJ9600000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29214400
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

836-30-6(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Nitrodiphenylamine-->2-(Methylamino)pyridine-->Nitrobenzene
[Preparation Products]

4-Aminodiphenylamine-->Disperse Orange 97-->Amoscanate-->Disperse Orange 97-->N-Isopropyl-N'-phenyl-1,4-phenylenediamine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitrodiphenylamine(836-30-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Orange Crystalline Solid
[Uses]

4-Nitrodiphenylamine was used to study reduction of nitrated diphenylamine derivatives in sediment water batch enrichments and dense cell suspensions of anaerobic, aromatic-compound-mineralizing pure bacterial cultures.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 42, p. 1786, 1977 DOI: 10.1021/jo00430a025
[General Description]

4-Nitrodiphenylamine undergoes heterogeneous catalytic transfer hydrogenation to form p-phenylenediamines. 4-Nitrodiphenylamine is used as stabilizer for propellants and explosives.
[Purification Methods]

Crystallise the amine from EtOH or aqueous EtOH (m 135-136o) and has m 131.5-132o after sublimation in vacuo. [Beilstein 12 H 715, 12 III 1586.]
[Toxics Screening Level]

The NOEL from this study was reported as 8.5 mg/m3. The calculation for the ITSL of 1 μg/m3 on an annually averaged basis
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrodiphenylamine(836-30-6)MS
4-Nitrodiphenylamine(836-30-6)1HNMR
4-Nitrodiphenylamine(836-30-6)13CNMR
4-Nitrodiphenylamine(836-30-6)IR1
4-Nitrodiphenylamine(836-30-6)IR2
4-Nitrodiphenylamine(836-30-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrodiphenylamine, 98+%(836-30-6)
[Alfa Aesar]

4-Nitrodiphenylamine, 98+%(836-30-6)
[Sigma Aldrich]

836-30-6(sigmaaldrich)
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